SCHEMBL971984

SCHEMBL971984

CN1CCN(S(=O)(=O)c2cn[c]s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.41
CYP3A4 P08684 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL971865 0.83 TSHR (0.46) MAPTPOLBKMT2AL3MBTL1CYP3A4
SCHEMBL9071117 0.71 MAPT (0.53) HTTMAPTPOLBKMT2AMEN1
SCHEMBL998820 0.70 HTT (0.51) HTTMAPTPOLBKMT2AMEN1
Hydrochloric Acid SCHEMBL1348323 0.68 L3MBTL1 (0.66) HTTMAPTKMT2AMEN1L3MBTL1
SCHEMBL972109 0.68 POLB (0.44) HTTMAPTPOLBKMT2AMEN1
SCHEMBL1000263 0.67 LPAR1 (0.51) HTTMAPTPOLBKMT2AMEN1
SCHEMBL1348985 0.66 MAPT (1.00) HTTMAPTPOLBKMT2AMEN1
SCHEMBL17339938 0.65 POLB (0.56) HTTPOLBKMT2AMEN1L3MBTL1
SCHEMBL1939095 0.64 L3MBTL1 (0.51) HTTMAPTPOLBKMT2AMEN1
SCHEMBL1303350 0.64 POLB (0.50) HTTMAPTPOLBKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
WO-2011157682-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD HTT 3606/4885MAPT 3715/4885POLB 1984/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 HTT 2401/4885MAPT 4151/4885POLB 1255/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD HTT 3606/4885MAPT 3715/4885POLB 1984/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK HTT 3381/4885MAPT 3782/4885POLB 2078/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 HTT 3362/4885MAPT 3832/4885POLB 3428/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.